SCHEMBL20118855

SCHEMBL20118855

CCc1c(CC(C)C)cnc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PDXK O00764 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3252202 0.82 NOS3 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL19413644 0.80 GABRA1 (0.34) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13176938 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL17229270 0.75 KDM5A (0.32)
SCHEMBL16769239 0.74 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL20143332 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL20804156 0.74 LMNA (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL26540332 0.72
SCHEMBL14015230 0.71 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12319209 0.71 NOS3 (0.38) KDM4EALDH1A1HPGDHSD17B10NOS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed